2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone

C19H19FN4O — CID 170857791

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C19H19FN4O/c20-14-5-7-15(8-6-14)24-11-9-23(10-12-24)13-18(25)19-16-3-1-2-4-17(16)21-22-19/h1-8H,9-13H2,(H,21,22)
InChIKeyXHWBWCMHGWPMRG-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.71
Rot. Bonds4

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone (PubChem CID 170857791) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone
PubChem CID170857791
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C19H19FN4O/c20-14-5-7-15(8-6-14)24-11-9-23(10-12-24)13-18(25)19-16-3-1-2-4-17(16)21-22-19/h1-8H,9-13H2,(H,21,22)
InChIKeyXHWBWCMHGWPMRG-UHFFFAOYSA-N
XLogP2.71
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 861157
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 3806013
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24936428
1-[4-(4-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4083768
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382188
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone
CID 5090901

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone (CID 170857791) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone is O=C(CN1CCN(c2ccc(F)cc2)CC1)c1n[nH]c2ccccc12.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone?
The InChIKey is XHWBWCMHGWPMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-14-5-7-15(8-6-14)24-11-9-23(10-12-24)13-18(25)19-16-3-1-2-4-17(16)21-22-19/h1-8H,9-13H2,(H,21,22).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone?
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone has a molecular weight of 338.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone is sourced from PubChem (CID 170857791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).